2-bromo-4-pentan-3-ylthiophene

C9H13BrS — CID 82390180

IUPAC2-bromo-4-pentan-3-ylthiophene
SMILESCCC(CC)c1csc(Br)c1
InChIInChI=1S/C9H13BrS/c1-3-7(4-2)8-5-9(10)11-6-8/h5-7H,3-4H2,1-2H3
InChIKeyOYEWNNJDZXKJJU-UHFFFAOYSA-N
MW233.17 g/mol
LogP4.41
Rot. Bonds3

About 2-bromo-4-pentan-3-ylthiophene

2-bromo-4-pentan-3-ylthiophene (PubChem CID 82390180) has the molecular formula C9H13BrS and a molecular weight of 233.17 g/mol. Its IUPAC name is 2-bromo-4-pentan-3-ylthiophene.

Molecular Properties

Compound Name2-bromo-4-pentan-3-ylthiophene
PubChem CID82390180
Molecular FormulaC9H13BrS
Molecular Weight233.17 g/mol
Exact Mass231.99
IUPAC Name2-bromo-4-pentan-3-ylthiophene
SMILESCCC(CC)c1csc(Br)c1
InChIInChI=1S/C9H13BrS/c1-3-7(4-2)8-5-9(10)11-6-8/h5-7H,3-4H2,1-2H3
InChIKeyOYEWNNJDZXKJJU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
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4-bromo-2-pentan-3-ylthiophene
CID 82390181
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
CID 105133536
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
1-(5-bromothiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105168152
1-(5-bromothiophen-3-yl)-2-ethylbutan-1-one
CID 105117350
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pentan-3-ylthiophene?
The IUPAC name of 2-bromo-4-pentan-3-ylthiophene (CID 82390180) is 2-bromo-4-pentan-3-ylthiophene.
What is the SMILES notation for 2-bromo-4-pentan-3-ylthiophene?
The canonical SMILES for 2-bromo-4-pentan-3-ylthiophene is CCC(CC)c1csc(Br)c1.
What is the InChIKey of 2-bromo-4-pentan-3-ylthiophene?
The InChIKey is OYEWNNJDZXKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrS/c1-3-7(4-2)8-5-9(10)11-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4-pentan-3-ylthiophene?
2-bromo-4-pentan-3-ylthiophene has a molecular weight of 233.17 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pentan-3-ylthiophene is sourced from PubChem (CID 82390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).